pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C19H11Cl2F3N2O2 — CID 142574177

IUPACpyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESO=C(OCc1ccccn1)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C19H11Cl2F3N2O2/c20-14-6-7-16(13-5-4-11(9-15(13)21)19(22,23)24)26-17(14)18(27)28-10-12-3-1-2-8-25-12/h1-9H,10H2
InChIKeyOXZQJDHEUVXFTI-UHFFFAOYSA-N
MW427.21 g/mol
LogP5.83
Rot. Bonds4

About pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 142574177) has the molecular formula C19H11Cl2F3N2O2 and a molecular weight of 427.21 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID142574177
Molecular FormulaC19H11Cl2F3N2O2
Molecular Weight427.21 g/mol
Exact Mass426.01
IUPAC Namepyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESO=C(OCc1ccccn1)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C19H11Cl2F3N2O2/c20-14-6-7-16(13-5-4-11(9-15(13)21)19(22,23)24)26-17(14)18(27)28-10-12-3-1-2-8-25-12/h1-9H,10H2
InChIKeyOXZQJDHEUVXFTI-UHFFFAOYSA-N
XLogP5.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.21
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 142574177) is pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is O=C(OCc1ccccn1)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is OXZQJDHEUVXFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N2O2/c20-14-6-7-16(13-5-4-11(9-15(13)21)19(22,23)24)26-17(14)18(27)28-10-12-3-1-2-8-25-12/h1-9H,10H2.
What are the key properties of pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 427.21 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 142574177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).